(2E)-2-[[2-(1H-imidazol-5-yl)phenyl]methylidene]-3H-inden-1-one

C19H14N2O — CID 129296496

IUPAC(2E)-2-[[2-(1H-imidazol-5-yl)phenyl]methylidene]-3H-inden-1-one
SMILESO=C1/C(=C/c2ccccc2-c2cnc[nH]2)Cc2ccccc21
InChIInChI=1S/C19H14N2O/c22-19-15(10-14-6-2-4-8-17(14)19)9-13-5-1-3-7-16(13)18-11-20-12-21-18/h1-9,11-12H,10H2,(H,20,21)/b15-9+
InChIKeySEAXJZBDXISUQS-OQLLNIDSSA-N
MW286.33 g/mol
LogP3.90
Rot. Bonds2

About (2E)-2-[[2-(1H-imidazol-5-yl)phenyl]methylidene]-3H-inden-1-one

(2E)-2-[[2-(1H-imidazol-5-yl)phenyl]methylidene]-3H-inden-1-one (PubChem CID 129296496) has the molecular formula C19H14N2O and a molecular weight of 286.33 g/mol. Its IUPAC name is (2E)-2-[[2-(1H-imidazol-5-yl)phenyl]methylidene]-3H-inden-1-one.

Molecular Properties

Compound Name(2E)-2-[[2-(1H-imidazol-5-yl)phenyl]methylidene]-3H-inden-1-one
PubChem CID129296496
Molecular FormulaC19H14N2O
Molecular Weight286.33 g/mol
Exact Mass286.11
IUPAC Name(2E)-2-[[2-(1H-imidazol-5-yl)phenyl]methylidene]-3H-inden-1-one
SMILESO=C1/C(=C/c2ccccc2-c2cnc[nH]2)Cc2ccccc21
InChIInChI=1S/C19H14N2O/c22-19-15(10-14-6-2-4-8-17(14)19)9-13-5-1-3-7-16(13)18-11-20-12-21-18/h1-9,11-12H,10H2,(H,20,21)/b15-9+
InChIKeySEAXJZBDXISUQS-OQLLNIDSSA-N
XLogP3.90
TPSA45.75 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.33
LogP ≤ 53.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (2E)-2-[[2-(1H-imidazol-5-yl)phenyl]methylidene]-3H-inden-1-one?
The IUPAC name of (2E)-2-[[2-(1H-imidazol-5-yl)phenyl]methylidene]-3H-inden-1-one (CID 129296496) is (2E)-2-[[2-(1H-imidazol-5-yl)phenyl]methylidene]-3H-inden-1-one.
What is the SMILES notation for (2E)-2-[[2-(1H-imidazol-5-yl)phenyl]methylidene]-3H-inden-1-one?
The canonical SMILES for (2E)-2-[[2-(1H-imidazol-5-yl)phenyl]methylidene]-3H-inden-1-one is O=C1/C(=C/c2ccccc2-c2cnc[nH]2)Cc2ccccc21.
What is the InChIKey of (2E)-2-[[2-(1H-imidazol-5-yl)phenyl]methylidene]-3H-inden-1-one?
The InChIKey is SEAXJZBDXISUQS-OQLLNIDSSA-N. The full InChI is InChI=1S/C19H14N2O/c22-19-15(10-14-6-2-4-8-17(14)19)9-13-5-1-3-7-16(13)18-11-20-12-21-18/h1-9,11-12H,10H2,(H,20,21)/b15-9+.
What are the key properties of (2E)-2-[[2-(1H-imidazol-5-yl)phenyl]methylidene]-3H-inden-1-one?
(2E)-2-[[2-(1H-imidazol-5-yl)phenyl]methylidene]-3H-inden-1-one has a molecular weight of 286.33 g/mol, XLogP of 3.90, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2E)-2-[[2-(1H-imidazol-5-yl)phenyl]methylidene]-3H-inden-1-one is sourced from PubChem (CID 129296496), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).